CID 206150

42981-86-2

Structural Information

Molecular Formula
C21H21NO2
SMILES
COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C=C2)CN4CCCC4
InChI
InChI=1S/C21H21NO2/c1-24-20-11-10-18-17(19(20)14-22-12-4-5-13-22)9-8-15-6-2-3-7-16(15)21(18)23/h2-3,6-11H,4-5,12-14H2,1H3
InChIKey
MHDVOJXHCHDAPC-UHFFFAOYSA-N
Compound name
6-methoxy-7-(pyrrolidin-1-ylmethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.15723 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16451 176.4
[M+Na]+ 342.14645 189.7
[M+NH4]+ 337.19105 184.8
[M+K]+ 358.12039 183.7
[M-H]- 318.14995 181.0
[M+Na-2H]- 340.13190 183.1
[M]+ 319.15668 179.8
[M]- 319.15778 179.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.